![5-[[2-(4-Bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid structure](/static/products/5359/535979-60-3.webp)
5-[[2-(4-Bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid
TL;DR: 5-[[2-(4-Bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid (CAS 535979-60-3) is a chemical compound with molecular formula C16H12BrClN2O4S and molecular weight 441.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid
Also Known As: 5-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid, 5-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]-2-chloroben, 5-({[(4-Bromophenoxy)acetyl]carbamothioyl}amino)-2-chlorobenzoic acid, 5-[[2-(4-bromophenoxy)acetyl]thiocarbamoylamino]-2-chloro-benzoic Acid, 5-[[[[(4-Bromophenoxy)acetyl ]amino]thioxomethyl ]amino]-2-chloro-benzoic acid
| Molecular Formula | C16H12BrClN2O4S |
|---|---|
| Molecular Weight | 441.94 g/mol |
| LogP | 3.6927 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.93896 |
| Heavy Atoms | 25 |
| Complexity | 814.28204 |
Chemical Identifiers
| CAS Number | 535979-60-3 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O)Br |
Product Overview
5-[[2-(4-Bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid (CAS 535979-60-3), with molecular formula C16H12BrClN2O4S and molecular weight 441.94 g/mol. IUPAC: 5-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid.
Chemical Property Profile of 5-[[2-(4-Bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid
Property Insights of 5-[[2-(4-Bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid
The XLogP value of 3.6927 indicates that 5-[[2-(4-Bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[[2-(4-Bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid. Following Lipinski's Rule of Five, 5-[[2-(4-Bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[[2-(4-Bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid?
The CAS number of 5-[[2-(4-Bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid is 535979-60-3.
What is the molecular formula of 5-[[2-(4-Bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid?
The molecular formula of 5-[[2-(4-Bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid is C16H12BrClN2O4S.
What is the molecular weight of 5-[[2-(4-Bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid?
The molecular weight of 5-[[2-(4-Bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid is 441.94 g/mol.
Where can I buy 5-[[2-(4-Bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid?
You can request a quote for 5-[[2-(4-Bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[[2-(4-Bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[[2-(4-Bromophenoxy)acetyl]carbamothioylamino]-2-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.